3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine

C34H40N6 — CID 121300969

IUPAC3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine
SMILESCc1cc(CCc2cccc(C(CN)Cc3cc(C)cc(-n4c(C)ccc4C)n3)n2)nc(-n2c(C)ccc2C)c1
InChIInChI=1S/C34H40N6/c1-22-16-30(37-33(18-22)39-24(3)10-11-25(39)4)15-14-29-8-7-9-32(36-29)28(21-35)20-31-17-23(2)19-34(38-31)40-26(5)12-13-27(40)6/h7-13,16-19,28H,14-15,20-21,35H2,1-6H3
InChIKeyOFJQXAMFHXOLID-UHFFFAOYSA-N
MW532.74 g/mol
LogP6.37
Rot. Bonds9

About 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine

3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine (PubChem CID 121300969) has the molecular formula C34H40N6 and a molecular weight of 532.74 g/mol. Its IUPAC name is 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine
PubChem CID121300969
Molecular FormulaC34H40N6
Molecular Weight532.74 g/mol
Exact Mass532.33
IUPAC Name3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine
SMILESCc1cc(CCc2cccc(C(CN)Cc3cc(C)cc(-n4c(C)ccc4C)n3)n2)nc(-n2c(C)ccc2C)c1
InChIInChI=1S/C34H40N6/c1-22-16-30(37-33(18-22)39-24(3)10-11-25(39)4)15-14-29-8-7-9-32(36-29)28(21-35)20-31-17-23(2)19-34(38-31)40-26(5)12-13-27(40)6/h7-13,16-19,28H,14-15,20-21,35H2,1-6H3
InChIKeyOFJQXAMFHXOLID-UHFFFAOYSA-N
XLogP6.37
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.74
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine?
The IUPAC name of 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine (CID 121300969) is 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine is Cc1cc(CCc2cccc(C(CN)Cc3cc(C)cc(-n4c(C)ccc4C)n3)n2)nc(-n2c(C)ccc2C)c1.
What is the InChIKey of 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine?
The InChIKey is OFJQXAMFHXOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6/c1-22-16-30(37-33(18-22)39-24(3)10-11-25(39)4)15-14-29-8-7-9-32(36-29)28(21-35)20-31-17-23(2)19-34(38-31)40-26(5)12-13-27(40)6/h7-13,16-19,28H,14-15,20-21,35H2,1-6H3.
What are the key properties of 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine?
3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine has a molecular weight of 532.74 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-2-[6-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 121300969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).